| 18 |
|
|
| 19 |
|
int getMyNode(void) { return mpiPlug->myNode; } |
| 20 |
|
int getNumberProcessors(void) { return mpiPlug->numberProcessors; } |
| 21 |
< |
int getMyMolStart( void ) { return mpiPlug->myMolStart; } |
| 22 |
< |
int getMyMolEnd( void ) { return mpiPlug->myMolEnd; } |
| 23 |
< |
int getMyMol( void ) { return mpiPlug->myMol; } |
| 24 |
< |
int getMyAtomStart( void ) { return mpiPlug->myAtomStart; } |
| 25 |
< |
int getMyAtomEnd( void ) { return mpiPlug->myAtomEnd; } |
| 21 |
> |
int getMyNMol( void ) { return mpiPlug->myNMol; } |
| 22 |
|
int getMyNlocal( void ) { return mpiPlug->myNlocal; } |
| 23 |
|
int getTotAtoms( void ) { return mpiPlug->nAtomsGlobal; } |
| 24 |
< |
|
| 25 |
< |
|
| 24 |
> |
int getTotNmol( void ) { return mpiPlug->nMolGlobal; } |
| 25 |
> |
int* getAtomToProcMap( void ) { return AtomToProcMap; } |
| 26 |
> |
int* getMolToProcMap( void ) { return MolToProcMap; } |
| 27 |
> |
int* getMolComponentType(void) { return MolComponentType; } |
| 28 |
> |
|
| 29 |
|
// sets the internal function pointer to fortran. |
| 30 |
|
|
| 31 |
< |
void setInternal( void (*fSetup) setFortranMPIlist ){ |
| 31 |
> |
void setInternal( setFortranMPI_TD fSetup){ |
| 32 |
|
setFsimParallel = fSetup; |
| 33 |
|
} |
| 34 |
|
|
| 40 |
|
protected: |
| 41 |
|
SimInfo* entryPlug; |
| 42 |
|
mpiSimData* mpiPlug; |
| 43 |
< |
|
| 43 |
> |
int *MolToProcMap; |
| 44 |
> |
int *MolComponentType; |
| 45 |
> |
int *AtomToProcMap; |
| 46 |
> |
int *AtomType; |
| 47 |
> |
|
| 48 |
|
// private function to initialize the fortran side of the simulation |
| 49 |
< |
void (*setFsimParallel) setFortranMPIlist; |
| 49 |
> |
setFortranMPI_TD setFsimParallel; |
| 50 |
|
|
| 51 |
|
// int *myIdents; // is needed by Cpp only. It tells the molecule which stamp it is. |
| 52 |
|
|
